UCSF

ZINC58264333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 8.09 -48.64 2 7 1 86 332.38 9
Mid Mid (pH 6-8) 1.57 6.12 -11.28 1 7 0 85 331.372 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )